Ligand id: 7745

Name: daporinad

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 62.3
Molecular weight 391.23
XLogP 5.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Gehrke I, Bouchard ED, Beiggi S, Poeppl AG, Johnston JB, Gibson SB, Banerji V. (2014)
On-Target Effect of FK866, a Nicotinamide Phosphoribosyl Transferase Inhibitor, by Apoptosis-Mediated Death in Chronic Lymphocytic Leukemia Cells.
Clin. Cancer Res., 20 (18): 4861-72. [PMID:25172933]
2. Hasmann M, Schemainda I. (2003)
FK866, a highly specific noncompetitive inhibitor of nicotinamide phosphoribosyltransferase, represents a novel mechanism for induction of tumor cell apoptosis.
Cancer Res., 63 (21): 7436-42. [PMID:14612543]